EXPDTA THEORETICAL MODEL, MODELLER 9.19 2017/10/25 12:02:19 REMARK 6 MODELLER OBJECTIVE FUNCTION: 97.4563 REMARK 6 MODELLER BEST TEMPLATE % SEQ ID: 60.000 REMARK 6 SEQUENCE: model REMARK 6 ALIGNMENT: alignment.pir REMARK 6 DOPE score: -1564.54358 REMARK 6 GA341 score: 0.98436 REMARK 6 Normalized DOPE score: -0.61986 REMARK 6 TEMPLATE: 2i13A02 75:A - 99:A MODELS 1: - 25: AT 60.0% ATOM 1 N GLU 314 -0.907 28.904 59.207 1.00 57.66 N ATOM 2 CA GLU 314 -1.940 27.953 58.745 1.00 57.66 C ATOM 3 CB GLU 314 -1.480 27.270 57.446 1.00 57.66 C ATOM 4 CG GLU 314 -0.169 26.500 57.611 1.00 57.66 C ATOM 5 CD GLU 314 0.179 25.867 56.271 1.00 57.66 C ATOM 6 OE1 GLU 314 -0.673 25.943 55.346 1.00 57.66 O ATOM 7 OE2 GLU 314 1.301 25.307 56.153 1.00 57.66 O ATOM 8 C GLU 314 -2.188 26.904 59.778 1.00 57.66 C ATOM 9 O GLU 314 -1.264 26.225 60.228 1.00 57.66 O ATOM 10 N LYS 315 -3.460 26.763 60.203 1.00120.46 N ATOM 11 CA LYS 315 -3.791 25.774 61.190 1.00120.46 C ATOM 12 CB LYS 315 -4.532 26.364 62.401 1.00120.46 C ATOM 13 CG LYS 315 -3.791 27.521 63.070 1.00120.46 C ATOM 14 CD LYS 315 -3.699 28.769 62.186 1.00120.46 C ATOM 15 CE LYS 315 -5.056 29.380 61.823 1.00120.46 C ATOM 16 NZ LYS 315 -4.864 30.546 60.928 1.00120.46 N ATOM 17 C LYS 315 -4.756 24.834 60.538 1.00120.46 C ATOM 18 O LYS 315 -5.954 25.104 60.475 1.00120.46 O ATOM 19 N PRO 316 -4.261 23.735 60.052 1.00112.02 N ATOM 20 CA PRO 316 -5.100 22.786 59.367 1.00112.02 C ATOM 21 CD PRO 316 -2.894 23.712 59.555 1.00112.02 C ATOM 22 CB PRO 316 -4.142 21.847 58.631 1.00112.02 C ATOM 23 CG PRO 316 -2.891 22.710 58.389 1.00112.02 C ATOM 24 C PRO 316 -6.112 22.051 60.197 1.00112.02 C ATOM 25 O PRO 316 -7.149 21.679 59.648 1.00112.02 O ATOM 26 N PHE 317 -5.866 21.821 61.502 1.00 62.18 N ATOM 27 CA PHE 317 -6.800 21.001 62.223 1.00 62.18 C ATOM 28 CB PHE 317 -6.150 19.946 63.132 1.00 62.18 C ATOM 29 CG PHE 317 -5.567 18.902 62.250 1.00 62.18 C ATOM 30 CD1 PHE 317 -6.356 17.878 61.784 1.00 62.18 C ATOM 31 CD2 PHE 317 -4.241 18.948 61.888 1.00 62.18 C ATOM 32 CE1 PHE 317 -5.828 16.909 60.967 1.00 62.18 C ATOM 33 CE2 PHE 317 -3.707 17.979 61.071 1.00 62.18 C ATOM 34 CZ PHE 317 -4.501 16.957 60.611 1.00 62.18 C ATOM 35 C PHE 317 -7.659 21.838 63.104 1.00 62.18 C ATOM 36 O PHE 317 -7.168 22.607 63.928 1.00 62.18 O ATOM 37 N SER 318 -8.988 21.666 62.967 1.00 74.16 N ATOM 38 CA SER 318 -9.904 22.410 63.777 1.00 74.16 C ATOM 39 CB SER 318 -10.957 23.172 62.955 1.00 74.16 C ATOM 40 OG SER 318 -11.784 22.262 62.246 1.00 74.16 O ATOM 41 C SER 318 -10.628 21.448 64.669 1.00 74.16 C ATOM 42 O SER 318 -11.002 20.354 64.247 1.00 74.16 O ATOM 43 N CYS 319 -10.812 21.835 65.949 1.00 41.73 N ATOM 44 CA CYS 319 -11.504 21.021 66.913 1.00 41.73 C ATOM 45 CB CYS 319 -11.249 21.458 68.368 1.00 41.73 C ATOM 46 SG CYS 319 -12.117 20.427 69.589 1.00 41.73 S ATOM 47 C CYS 319 -12.969 21.149 66.643 1.00 41.73 C ATOM 48 O CYS 319 -13.491 22.249 66.472 1.00 41.73 O ATOM 49 N THR 320 -13.687 20.014 66.610 1.00106.99 N ATOM 50 CA THR 320 -15.078 20.070 66.274 1.00106.99 C ATOM 51 CB THR 320 -15.692 18.708 66.078 1.00106.99 C ATOM 52 OG1 THR 320 -16.969 18.835 65.470 1.00106.99 O ATOM 53 CG2 THR 320 -15.825 18.000 67.437 1.00106.99 C ATOM 54 C THR 320 -15.849 20.795 67.336 1.00106.99 C ATOM 55 O THR 320 -16.768 21.553 67.025 1.00106.99 O ATOM 56 N GLN 321 -15.536 20.544 68.624 1.00150.53 N ATOM 57 CA GLN 321 -16.347 21.153 69.641 1.00150.53 C ATOM 58 CB GLN 321 -16.120 20.530 71.029 1.00150.53 C ATOM 59 CG GLN 321 -16.627 19.091 71.136 1.00150.53 C ATOM 60 CD GLN 321 -18.148 19.134 71.052 1.00150.53 C ATOM 61 OE1 GLN 321 -18.723 19.517 70.034 1.00150.53 O ATOM 62 NE2 GLN 321 -18.824 18.736 72.162 1.00150.53 N ATOM 63 C GLN 321 -16.159 22.643 69.781 1.00150.53 C ATOM 64 O GLN 321 -17.116 23.404 69.650 1.00150.53 O ATOM 65 N CYS 322 -14.919 23.087 70.081 1.00 61.09 N ATOM 66 CA CYS 322 -14.620 24.477 70.324 1.00 61.09 C ATOM 67 CB CYS 322 -13.338 24.677 71.148 1.00 61.09 C ATOM 68 SG CYS 322 -11.878 23.927 70.372 1.00 61.09 S ATOM 69 C CYS 322 -14.504 25.270 69.061 1.00 61.09 C ATOM 70 O CYS 322 -14.939 26.419 69.001 1.00 61.09 O ATOM 71 N GLY 323 -13.903 24.679 68.011 1.00 27.50 N ATOM 72 CA GLY 323 -13.727 25.395 66.779 1.00 27.50 C ATOM 73 C GLY 323 -12.348 25.988 66.732 1.00 27.50 C ATOM 74 O GLY 323 -12.010 26.701 65.789 1.00 27.50 O ATOM 75 N LYS 324 -11.506 25.710 67.748 1.00 76.16 N ATOM 76 CA LYS 324 -10.172 26.245 67.765 1.00 76.16 C ATOM 77 CB LYS 324 -9.511 26.161 69.149 1.00 76.16 C ATOM 78 CG LYS 324 -8.275 27.049 69.298 1.00 76.16 C ATOM 79 CD LYS 324 -7.853 27.250 70.754 1.00 76.16 C ATOM 80 CE LYS 324 -6.763 28.308 70.932 1.00 76.16 C ATOM 81 NZ LYS 324 -5.500 27.861 70.305 1.00 76.16 N ATOM 82 C LYS 324 -9.332 25.482 66.777 1.00 76.16 C ATOM 83 O LYS 324 -9.510 24.279 66.594 1.00 76.16 O ATOM 84 N SER 325 -8.376 26.170 66.113 1.00 44.38 N ATOM 85 CA SER 325 -7.583 25.515 65.107 1.00 44.38 C ATOM 86 CB SER 325 -7.553 26.261 63.762 1.00 44.38 C ATOM 87 OG SER 325 -8.847 26.273 63.177 1.00 44.38 O ATOM 88 C SER 325 -6.169 25.415 65.589 1.00 44.38 C ATOM 89 O SER 325 -5.708 26.248 66.368 1.00 44.38 O ATOM 90 N PHE 326 -5.446 24.372 65.124 1.00 59.18 N ATOM 91 CA PHE 326 -4.102 24.137 65.578 1.00 59.18 C ATOM 92 CB PHE 326 -3.998 22.915 66.507 1.00 59.18 C ATOM 93 CG PHE 326 -4.744 23.242 67.756 1.00 59.18 C ATOM 94 CD1 PHE 326 -4.106 23.877 68.798 1.00 59.18 C ATOM 95 CD2 PHE 326 -6.078 22.927 67.881 1.00 59.18 C ATOM 96 CE1 PHE 326 -4.787 24.184 69.953 1.00 59.18 C ATOM 97 CE2 PHE 326 -6.761 23.234 69.034 1.00 59.18 C ATOM 98 CZ PHE 326 -6.117 23.866 70.069 1.00 59.18 C ATOM 99 C PHE 326 -3.208 23.870 64.407 1.00 59.18 C ATOM 100 O PHE 326 -3.638 23.382 63.362 1.00 59.18 O ATOM 101 N SER 327 -1.918 24.220 64.570 1.00 35.43 N ATOM 102 CA SER 327 -0.918 24.027 63.562 1.00 35.43 C ATOM 103 CB SER 327 0.407 24.733 63.898 1.00 35.43 C ATOM 104 OG SER 327 1.000 24.134 65.041 1.00 35.43 O ATOM 105 C SER 327 -0.609 22.567 63.431 1.00 35.43 C ATOM 106 O SER 327 -0.242 22.106 62.351 1.00 35.43 O ATOM 107 N GLN 328 -0.745 21.790 64.527 1.00 45.54 N ATOM 108 CA GLN 328 -0.330 20.419 64.447 1.00 45.54 C ATOM 109 CB GLN 328 0.923 20.132 65.286 1.00 45.54 C ATOM 110 CG GLN 328 2.163 20.867 64.777 1.00 45.54 C ATOM 111 CD GLN 328 3.315 20.572 65.725 1.00 45.54 C ATOM 112 OE1 GLN 328 3.336 21.042 66.860 1.00 45.54 O ATOM 113 NE2 GLN 328 4.307 19.773 65.250 1.00 45.54 N ATOM 114 C GLN 328 -1.412 19.514 64.945 1.00 45.54 C ATOM 115 O GLN 328 -2.174 19.857 65.847 1.00 45.54 O ATOM 116 N SER 329 -1.478 18.306 64.346 1.00 68.41 N ATOM 117 CA SER 329 -2.460 17.315 64.678 1.00 68.41 C ATOM 118 CB SER 329 -2.378 16.058 63.794 1.00 68.41 C ATOM 119 OG SER 329 -3.371 15.124 64.189 1.00 68.41 O ATOM 120 C SER 329 -2.241 16.865 66.085 1.00 68.41 C ATOM 121 O SER 329 -3.195 16.619 66.820 1.00 68.41 O ATOM 122 N SER 330 -0.969 16.760 66.505 1.00 71.60 N ATOM 123 CA SER 330 -0.668 16.259 67.813 1.00 71.60 C ATOM 124 CB SER 330 0.841 16.241 68.095 1.00 71.60 C ATOM 125 OG SER 330 1.493 15.367 67.187 1.00 71.60 O ATOM 126 C SER 330 -1.286 17.158 68.829 1.00 71.60 C ATOM 127 O SER 330 -1.872 16.691 69.803 1.00 71.60 O ATOM 128 N ASN 331 -1.167 18.480 68.615 1.00 34.72 N ATOM 129 CA ASN 331 -1.674 19.440 69.549 1.00 34.72 C ATOM 130 CB ASN 331 -1.335 20.889 69.149 1.00 34.72 C ATOM 131 CG ASN 331 0.168 21.089 69.281 1.00 34.72 C ATOM 132 OD1 ASN 331 0.861 20.300 69.922 1.00 34.72 O ATOM 133 ND2 ASN 331 0.687 22.185 68.663 1.00 34.72 N ATOM 134 C ASN 331 -3.167 19.325 69.610 1.00 34.72 C ATOM 135 O ASN 331 -3.751 19.392 70.689 1.00 34.72 O ATOM 136 N LEU 332 -3.829 19.143 68.451 1.00100.11 N ATOM 137 CA LEU 332 -5.263 19.080 68.432 1.00100.11 C ATOM 138 CB LEU 332 -5.824 18.981 66.997 1.00100.11 C ATOM 139 CG LEU 332 -7.365 18.913 66.878 1.00100.11 C ATOM 140 CD1 LEU 332 -7.944 17.562 67.332 1.00100.11 C ATOM 141 CD2 LEU 332 -8.026 20.100 67.593 1.00100.11 C ATOM 142 C LEU 332 -5.702 17.878 69.213 1.00100.11 C ATOM 143 O LEU 332 -6.650 17.951 69.993 1.00100.11 O ATOM 144 N ASN 333 -4.996 16.746 69.038 1.00 77.95 N ATOM 145 CA ASN 333 -5.381 15.522 69.684 1.00 77.95 C ATOM 146 CB ASN 333 -4.439 14.353 69.348 1.00 77.95 C ATOM 147 CG ASN 333 -4.999 13.105 70.017 1.00 77.95 C ATOM 148 OD1 ASN 333 -6.201 12.849 69.971 1.00 77.95 O ATOM 149 ND2 ASN 333 -4.109 12.308 70.666 1.00 77.95 N ATOM 150 C ASN 333 -5.356 15.715 71.167 1.00 77.95 C ATOM 151 O ASN 333 -6.286 15.315 71.863 1.00 77.95 O ATOM 152 N LEU 334 -4.293 16.337 71.703 1.00126.28 N ATOM 153 CA LEU 334 -4.254 16.523 73.125 1.00126.28 C ATOM 154 CB LEU 334 -2.910 17.060 73.643 1.00126.28 C ATOM 155 CG LEU 334 -1.802 15.991 73.632 1.00126.28 C ATOM 156 CD1 LEU 334 -2.105 14.881 74.651 1.00126.28 C ATOM 157 CD2 LEU 334 -1.561 15.443 72.221 1.00126.28 C ATOM 158 C LEU 334 -5.348 17.456 73.539 1.00126.28 C ATOM 159 O LEU 334 -5.974 17.263 74.579 1.00126.28 O ATOM 160 N HIS 335 -5.614 18.491 72.721 1.00 43.58 N ATOM 161 CA HIS 335 -6.614 19.459 73.058 1.00 43.58 C ATOM 162 ND1 HIS 335 -7.554 22.647 73.204 1.00 43.58 N ATOM 163 CG HIS 335 -7.771 21.600 72.335 1.00 43.58 C ATOM 164 CB HIS 335 -6.750 20.559 71.990 1.00 43.58 C ATOM 165 NE2 HIS 335 -9.646 22.848 72.478 1.00 43.58 N ATOM 166 CD2 HIS 335 -9.055 21.739 71.902 1.00 43.58 C ATOM 167 CE1 HIS 335 -8.706 23.361 73.253 1.00 43.58 C ATOM 168 C HIS 335 -7.934 18.770 73.171 1.00 43.58 C ATOM 169 O HIS 335 -8.700 19.034 74.095 1.00 43.58 O ATOM 170 N MET 336 -8.235 17.852 72.240 1.00136.10 N ATOM 171 CA MET 336 -9.521 17.225 72.267 1.00136.10 C ATOM 172 CB MET 336 -9.774 16.285 71.075 1.00136.10 C ATOM 173 CG MET 336 -8.887 15.041 71.042 1.00136.10 C ATOM 174 SD MET 336 -9.241 13.902 69.671 1.00136.10 S ATOM 175 CE MET 336 -10.505 12.965 70.578 1.00136.10 C ATOM 176 C MET 336 -9.688 16.446 73.532 1.00136.10 C ATOM 177 O MET 336 -10.762 16.475 74.130 1.00136.10 O ATOM 178 N ARG 337 -8.648 15.732 73.999 1.00174.79 N ATOM 179 CA ARG 337 -8.899 14.979 75.192 1.00174.79 C ATOM 180 CB ARG 337 -7.929 13.806 75.415 1.00174.79 C ATOM 181 CG ARG 337 -8.026 12.708 74.353 1.00174.79 C ATOM 182 CD ARG 337 -7.470 11.351 74.797 1.00174.79 C ATOM 183 NE ARG 337 -6.050 11.529 75.213 1.00174.79 N ATOM 184 CZ ARG 337 -5.759 11.802 76.519 1.00174.79 C ATOM 185 NH1 ARG 337 -6.765 11.947 77.429 1.00174.79 N ATOM 186 NH2 ARG 337 -4.459 11.917 76.921 1.00174.79 N ATOM 187 C ARG 337 -8.746 15.899 76.350 1.00174.79 C ATOM 188 O ARG 337 -7.793 15.800 77.123 1.00174.79 O ATOM 189 N ILE 338 -9.711 16.818 76.515 1.00 90.83 N ATOM 190 CA ILE 338 -9.666 17.693 77.642 1.00 90.83 C ATOM 191 CB ILE 338 -9.166 19.073 77.329 1.00 90.83 C ATOM 192 CG1 ILE 338 -10.095 19.782 76.332 1.00 90.83 C ATOM 193 CG2 ILE 338 -7.711 18.948 76.848 1.00 90.83 C ATOM 194 CD1 ILE 338 -9.827 21.283 76.235 1.00 90.83 C ATOM 195 C ILE 338 -11.097 17.825 78.138 1.00 90.83 C ATOM 196 O ILE 338 -11.825 16.797 78.099 1.00 90.83 O ATOM 197 OXT ILE 338 -11.486 18.950 78.550 1.00 90.83 O